826-17-5

快速询单

结构式：

826-17-5MOL文件

CAS号：

826-17-5

分子式：

C₉H₉O₂

分子量：

149.166562795639

826-17-5(826-17-5)名称与标识符

标识符

InChIKey：

XMIIGOLPHOKFCH-UHFFFAOYSA-M

Inchi：

1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/p-1

SMILES：

[O-]C(CCC1C=CC=CC=1)=O

826-17-5(826-17-5)物化性质

计算特性

精确分子量 : 149.060254526g/mol
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 149.060254526g/mol
重原子数量 : 11
复杂度 : 120
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.5
拓扑分子极性表面积 : 40.1Å²

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826-17-5

826-17-5(826-17-5)名称与标识符

标识符

826-17-5(826-17-5)物化性质

计算特性

826-17-5(826-17-5)相关文献

目录